hexyl-[2-(4-hexylsulfanylphenyl)phenyl]sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: hexyl-[2-(4-hexylsulfanylphenyl)phenyl]sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: hexyl-[2-(4-hexylsulfanylphenyl)phenyl]sulfonium; trifluoromethanesulfonate CAS Name: hexyl-[2-[4-(hexylthio)phenyl]phenyl]sulfonium; trifluoromethanesulfonate IUPAC Name: hexyl-[2-(4-hexylsulfanylphenyl)phenyl]sulfanium; trifluoromethanesulfonate Traditional Name: hexyl-[2-[4-(hexylthio)phenyl]phenyl]sulfonium triflate Formula: C25H35F3O3S3 MolecularWeight: 536.73381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[SH+]C1=CC=CC=C1C2=CC=C(C=C2)SCCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCC[SH+]C1=CC=CC=C1C2=CC=C(C=C2)SCCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C24H34S2.CHF3O3S/c1-3-5-7-11-19-25-22-17-15-21(16-18-22)23-13-9-10-14-24(23)26-20-12-8-6-4-2;2-1(3,4)8(5,6)7/h9-10,13-18H,3-8,11-12,19-20H2,1-2H3;(H,5,6,7)